SCHEMBL6910702

SCHEMBL6910702

O=S1(=O)NCc2cc(-c3cccnc3)ccc2N1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.60
CYP11B2 P19099 17/20 0.60
CYP1A2 P05177 8/20 0.54
CYP2C9 P11712 2/20 0.53
TBXAS1 P24557 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
TDP2 O95551 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 2/20 0.45
FGFR1 P11362 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6910608 0.78 CYP11B2 (0.60) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL6911808 0.74 CYP11B1 (0.60) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL6911860 0.74 CYP11B1 (0.63) CYP11B1CYP11B2CYP1A2CYP2C9CYP3A4
SCHEMBL4596034 0.72 KIF11 (0.52) TDP2
SCHEMBL21530479 0.72 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29851146 0.72 CYP11B1 (0.53) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL6187188 0.71 CYP11B1 (0.65) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29849827 0.70 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL748904 0.70 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29849907 0.70 CYP11B1 (1.00) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-8541404-B2 Inhibitors of the human aldosterone synthase CYP11B2 ELEXOPHARM GMBH (DE) 2013-09-24 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-19 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 UNIVERSITAT DES SAARLANDES (DE) 2011-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110118241-A1 6-Pyridin-3-YL-3,4-Dihydro-1H-Quinolin-2-One Derivatives and Related Compounds as Inhibitors of the Human Aldosterone Synthase CYP11B2 HSD11B1, HSD11B2, CYP4A11 CYP11B1 6/4885CYP11B2 4/4885CYP1A2 23/4885
US-20110112067-A1 Inhibitors of the Human Aldosterone Sythase CYP11B2 HSD11B1, HSD11B2, CYP11B1 CYP11B1 3/4885CYP11B2 4/4885CYP1A2 101/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.